Molecule ID: mol20269

SMILES: CCN(CC)CCCC(C)Nc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12

InChI: InChI=1S/C25H32N4/c1-5-29(6-2)17-11-12-18(3)26-23-20-14-8-10-16-22(20)28(4)25-19-13-7-9-15-21(19)27-24(23)25/h7-10,13-16,18H,5-6,11-12,17H2,1-4H3,(H,26,27)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.45 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization